Crystallography Open Database

Information card for entry 7703519

Preview

Coordinates	7703519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl3 N2 O4 Pd2
Calculated formula	C33 H27 Cl3 N2 O4 Pd2
SMILES	[Pd]123[Cl][Pd]4([O]=C(O2)C)[n]2c(c5cccc(c6[n]3c(c3c1cc(OC)cc3)ccc6)c5)cccc2c1ccc(OC)cc41.ClCCl
Title of publication	Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.
Authors of publication	Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	9
Pages of publication	2781 - 2785
a	17.065 ± 0.011 Å
b	17.488 ± 0.011 Å
c	20.605 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	6149 ± 7 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248981 (current)	2020-03-05	cif/ Updating files of 7703519, 7703520 Original log message: Adding full bibliography for 7703519--7703520.cif.	7703519.cif
248251	2020-02-18	cif/ Adding structures of 7703519, 7703520 via cif-deposit CGI script.	7703519.cif